CID 5805594

Nsc636986

Structural Information

Molecular Formula
C17H16O2
SMILES
CC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=CC=C2O)C
InChI
InChI=1S/C17H16O2/c1-12-7-9-15(13(2)11-12)17(19)10-8-14-5-3-4-6-16(14)18/h3-11,18H,1-2H3/b10-8+
InChIKey
UURALUILAZJMAY-CSKARUKUSA-N
Compound name
(E)-1-(2,4-dimethylphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

252.11504 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.12232 157.3
[M+Na]+ 275.10426 165.4
[M-H]- 251.10776 163.1
[M+NH4]+ 270.14886 174.0
[M+K]+ 291.07820 160.4
[M+H-H2O]+ 235.11230 150.4
[M+HCOO]- 297.11324 179.1
[M+CH3COO]- 311.12889 194.5
[M+Na-2H]- 273.08971 160.0
[M]+ 252.11449 157.6
[M]- 252.11559 157.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe